N-[(4-methoxyphenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide

C26H26N4O2 — CID 154688280

IUPACN-[(4-methoxyphenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCc3c(c4ccccc4n3Cc3ccncc3)C2)cc1
InChIInChI=1S/C26H26N4O2/c1-32-21-8-6-19(7-9-21)16-28-26(31)29-15-12-25-23(18-29)22-4-2-3-5-24(22)30(25)17-20-10-13-27-14-11-20/h2-11,13-14H,12,15-18H2,1H3,(H,28,31)
InChIKeyUSLCCNFMIOECSY-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.36
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide

N-[(4-methoxyphenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide (PubChem CID 154688280) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
PubChem CID154688280
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCc3c(c4ccccc4n3Cc3ccncc3)C2)cc1
InChIInChI=1S/C26H26N4O2/c1-32-21-8-6-19(7-9-21)16-28-26(31)29-15-12-25-23(18-29)22-4-2-3-5-24(22)30(25)17-20-10-13-27-14-11-20/h2-11,13-14H,12,15-18H2,1H3,(H,28,31)
InChIKeyUSLCCNFMIOECSY-UHFFFAOYSA-N
XLogP4.36
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(3-fluorophenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
CID 154688196
ethyl 5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate
CID 25019455
N-hydroxy-4-[(2-pyridin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide
CID 163280305
1-(5-benzyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2,2-dimethylpropan-1-one
CID 42883294
N-[(4-methoxyphenyl)methyl]-5-(pyridine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26215805
5-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
CID 154688256
4-[[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-methylbenzamide
CID 70800165
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 27516864
N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108170
N'-[(4-methoxyphenyl)methyl]-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887107
N-[(2-methylphenyl)methyl]-9-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydrocarbazole-3-carboxamide
CID 154688045

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide (CID 154688280) is N-[(4-methoxyphenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide is COc1ccc(CNC(=O)N2CCc3c(c4ccccc4n3Cc3ccncc3)C2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide?
The InChIKey is USLCCNFMIOECSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-32-21-8-6-19(7-9-21)16-28-26(31)29-15-12-25-23(18-29)22-4-2-3-5-24(22)30(25)17-20-10-13-27-14-11-20/h2-11,13-14H,12,15-18H2,1H3,(H,28,31).
What are the key properties of N-[(4-methoxyphenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide?
N-[(4-methoxyphenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide is sourced from PubChem (CID 154688280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).